disodium 2-[3-methylsulfanyl-5-(methylsulfonylamino)-1,2,4-triazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 2-[3-methylsulfanyl-5-(methylsulfonylamino)-1,2,4-triazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 2-[5-(methanesulfonamido)-3-methylsulfanyl-1,2,4-triazol-1-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 2-[5-(methanesulfonamido)-3-(methylthio)-1,2,4-triazol-1-yl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 2-[5-(methanesulfonamido)-3-methylsulfanyl-1,2,4-triazol-1-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 2-[5-(methanesulfonamido)-3-(methylthio)-1,2,4-triazol-1-yl]-4-(oxidoperoxythio)besylate Formula: C10H10N4Na2O8S4 MolecularWeight: 488.44794

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NS(=O)(=O)C)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CSC1=NN(C(=N1)NS(=O)(=O)C)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H12N4O8S4.2Na/c1-23-10-11-9(13-25(2,16)17)14(12-10)7-5-6(24-22-21-15)3-4-8(7)26(18,19)20;;/h3-5,15H,1-2H3,(H,11,12,13)(H,18,19,20);;/q;2*+1/p-2